PBE50-PYSCF

FUNCTIONAL NAME: PBE50-PYSCF


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


The functional is a HYBRID functional


DESCRIPTION: PBE50. PySCF variant.




REFERENCES


Y. A. Bernard, Y. Shao, and A. I. Krylov., J. Chem. Phys. 136, 204103 (2012)

DOI: 10.1063/1.4714499